2VNZ
Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-29 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 81.780, 81.780, 75.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.180 - 1.300 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ggn |
RMSD bond length | 0.006 |
RMSD bond angle | 1.117 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.830 | 1.390 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 63112 | |
<I/σ(I)> | 21.6 | 4.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.29 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | pH 8.3 |